dihydroxy(oxo)phosphanium;dodecane

C12H28O3P+ — CID 18620358

IUPACdihydroxy(oxo)phosphanium;dodecane
SMILESCCCCCCCCCCCC.O=[P+](O)O
InChIInChI=1S/C12H26.HO3P/c1-3-5-7-9-11-12-10-8-6-4-2;1-4(2)3/h3-12H2,1-2H3;(H-,1,2,3)/p+1
InChIKeySOPAZOHSFNYHBZ-UHFFFAOYSA-O
MW251.33 g/mol
LogP4.56
Rot. Bonds9

About dihydroxy(oxo)phosphanium;dodecane

dihydroxy(oxo)phosphanium;dodecane (PubChem CID 18620358) has the molecular formula C12H28O3P+ and a molecular weight of 251.33 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;dodecane.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;dodecane
PubChem CID18620358
Molecular FormulaC12H28O3P+
Molecular Weight251.33 g/mol
Exact Mass251.18
IUPAC Namedihydroxy(oxo)phosphanium;dodecane
SMILESCCCCCCCCCCCC.O=[P+](O)O
InChIInChI=1S/C12H26.HO3P/c1-3-5-7-9-11-12-10-8-6-4-2;1-4(2)3/h3-12H2,1-2H3;(H-,1,2,3)/p+1
InChIKeySOPAZOHSFNYHBZ-UHFFFAOYSA-O
XLogP4.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dihydroxy(oxo)phosphanium;dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
benzene;dihydroxy(oxo)phosphanium;bis(nonane)
CID 68789249
dihydroxy(oxo)phosphanium;tridecan-1-ol
CID 174863686
decan-1-ol;dihydroxy(oxo)phosphanium
CID 162195755
bis(dihydroxy(oxo)phosphanium);pentan-1-ol
CID 88669892
hydroxy-methoxy-oxophosphanium;tetradecane
CID 87604776
pentakis(decane);hydroxy-methoxy-oxophosphanium
CID 173118526
dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine
CID 19904990
dihydroxy(oxo)phosphanium;octanoic acid
CID 158603772
hexane;phosphenous acid
CID 21406649
dihydroxy(oxo)phosphanium;bis(hexane);nickel(2+)
CID 158398716
hydroxy-octyl-oxophosphanium;nickel
CID 87136142

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;dodecane?
The IUPAC name of dihydroxy(oxo)phosphanium;dodecane (CID 18620358) is dihydroxy(oxo)phosphanium;dodecane.
What is the SMILES notation for dihydroxy(oxo)phosphanium;dodecane?
The canonical SMILES for dihydroxy(oxo)phosphanium;dodecane is CCCCCCCCCCCC.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;dodecane?
The InChIKey is SOPAZOHSFNYHBZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H26.HO3P/c1-3-5-7-9-11-12-10-8-6-4-2;1-4(2)3/h3-12H2,1-2H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;dodecane?
dihydroxy(oxo)phosphanium;dodecane has a molecular weight of 251.33 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;dodecane is sourced from PubChem (CID 18620358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).